#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fn0 n VAL 2 N 0.00 0.42 -4.25 6.31 0.31 -1.25 -4.42 118.33 115.45 3fn0 n VAL 2 Ca 0.00 -0.11 -0.19 0.00 -0.01 0.00 0.00 64.34 64.03 3fn0 n VAL 2 Cb 0.00 -1.94 -0.16 0.00 -0.91 0.00 0.00 33.84 30.83 3fn0 n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3fn0 s GLN 3 N 0.46 0.83 -0.09 5.55 -0.21 0.52 -4.98 119.66 121.74 3fn0 s GLN 3 Ca 0.71 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.91 3fn0 s GLN 3 Cb -0.51 -0.80 -0.02 0.00 1.00 0.00 0.00 33.01 32.67 3fn0 s GLN 3 CO 0.39 0.01 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.96 3fn0 s LEU 4 N 0.52 2.93 -0.14 2.90 1.43 -1.26 -0.41 118.68 124.65 3fn0 s LEU 4 Ca -0.07 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3fn0 s LEU 4 Cb -0.11 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.51 3fn0 s LEU 4 CO 0.00 0.29 -0.05 -0.76 0.23 0.00 0.00 176.35 176.06 3fn0 s LEU 5 N -0.38 1.33 0.36 1.79 1.02 -0.72 -3.97 118.68 118.11 3fn0 s LEU 5 Ca 0.05 -0.47 -0.27 0.00 0.02 0.00 0.00 54.13 53.45 3fn0 s LEU 5 Cb -0.12 -0.83 -0.09 0.00 0.02 0.00 0.00 46.19 45.16 3fn0 s LEU 5 CO 0.02 -0.16 1.21 -1.61 0.02 0.00 0.00 176.35 175.83 3fn0 s GLU 6 N 1.70 4.25 0.04 1.70 8.01 -1.26 -1.69 118.70 131.45 3fn0 s GLU 6 Ca 0.03 1.98 -0.02 0.00 0.01 0.00 0.00 54.97 56.97 3fn0 s GLU 6 Cb -0.14 -2.90 -0.03 0.00 -4.31 0.00 0.00 34.13 26.75 3fn0 s GLU 6 CO -0.08 -0.19 0.00 -1.54 0.01 0.00 0.00 175.26 173.46 3fn0 s SER 7 N -0.84 0.32 0.00 -0.19 1.04 0.14 -4.98 113.70 109.18 3fn0 s SER 7 Ca 0.52 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3fn0 s SER 7 Cb -0.34 0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.94 3fn0 s SER 7 CO 0.45 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.82 3fn0 n GLY 8 N 0.86 4.06 3.77 7.32 0.00 -1.26 -0.53 105.19 119.40 3fn0 n GLY 8 Ca -0.19 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3fn0 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fn0 s PRO 9 N -3.43 4.29 0.00 1.61 0.04 -1.26 -4.96 135.00 131.29 3fn0 s PRO 9 Ca 0.00 2.30 0.09 0.00 0.04 0.00 0.00 61.00 63.42 3fn0 s PRO 9 Cb 0.00 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 3fn0 s PRO 9 CO 0.00 -0.30 0.54 0.41 0.04 0.00 0.00 177.00 177.68 3fn0 n GLY 10 N 1.09 -0.10 3.37 0.56 0.00 -1.26 -4.69 105.19 104.15 3fn0 n GLY 10 Ca 0.02 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3fn0 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fn0 s LEU 11 N -1.69 4.31 0.23 0.99 2.96 -1.26 -0.94 118.68 123.28 3fn0 s LEU 11 Ca 0.06 -0.84 0.04 0.00 -0.22 0.00 0.00 54.13 53.17 3fn0 s LEU 11 Cb 0.07 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3fn0 s LEU 11 CO 0.24 -0.29 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.19 3fn0 s LEU 12 N 1.53 2.30 0.35 -0.68 1.43 -0.36 -5.02 118.68 118.23 3fn0 s LEU 12 Ca 0.02 -1.18 0.08 0.00 -1.03 0.00 0.00 54.13 52.02 3fn0 s LEU 12 Cb -0.18 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 3fn0 s LEU 12 CO 0.05 -0.44 0.17 -1.59 0.23 0.00 0.00 176.35 174.76 3fn0 s LYS 13 N -3.81 2.40 0.38 1.70 0.00 -1.26 -2.05 119.74 117.10 3fn0 s LYS 13 Ca 0.27 -1.54 -0.27 0.00 0.00 0.00 0.00 55.97 54.43 3fn0 s LYS 13 Cb 0.05 -2.20 -0.10 0.00 0.00 0.00 0.00 37.83 35.58 3fn0 s LYS 13 CO 0.08 0.08 1.35 -2.14 0.00 0.00 0.00 175.35 174.73 3fn0 s PRO 14 N -3.87 4.08 0.00 1.78 0.02 -1.26 -2.21 135.00 133.53 3fn0 s PRO 14 Ca 0.39 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3fn0 s PRO 14 Cb -0.02 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3fn0 s PRO 14 CO 0.23 -0.45 0.00 -1.13 -0.33 0.00 0.00 177.00 175.33 3fn0 n SER 15 N 0.35 0.00 -3.46 2.53 3.41 -0.10 -4.95 113.62 111.41 3fn0 n SER 15 Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.43 3fn0 n SER 15 Cb 0.42 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.50 3fn0 n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fn0 n GLU 16 N -2.00 -0.69 -4.12 4.33 1.02 -0.94 -3.91 120.64 114.33 3fn0 n GLU 16 Ca 0.00 -1.57 -0.33 0.00 -0.02 0.00 0.00 57.16 55.24 3fn0 n GLU 16 Cb 0.00 -0.86 -0.16 0.00 -0.02 0.00 0.00 31.44 30.40 3fn0 n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fn0 s THR 17 N -2.85 2.03 0.14 2.62 2.01 -1.26 -1.43 115.64 116.89 3fn0 s THR 17 Ca 0.52 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 3fn0 s THR 17 Cb -0.02 -1.83 -0.07 0.00 0.01 0.00 0.00 72.50 70.59 3fn0 s THR 17 CO 0.36 0.53 1.09 -0.22 -0.69 0.00 0.00 174.62 175.70 3fn0 s LEU 18 N 1.30 4.47 -0.16 4.42 2.96 0.11 -4.91 118.68 126.86 3fn0 s LEU 18 Ca 0.05 2.02 -0.04 0.00 -0.22 0.00 0.00 54.13 55.93 3fn0 s LEU 18 Cb -0.13 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.02 3fn0 s LEU 18 CO -0.13 -0.24 0.08 -0.55 -1.32 0.00 0.00 176.35 174.19 3fn0 s SER 19 N 0.14 2.28 0.13 3.68 0.15 -1.26 -0.72 113.70 118.10 3fn0 s SER 19 Ca 0.51 -0.56 0.07 0.00 0.70 0.00 0.00 55.95 56.67 3fn0 s SER 19 Cb -0.28 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.71 3fn0 s SER 19 CO 0.33 -0.33 -0.18 -0.76 1.20 0.00 0.00 173.24 173.50 3fn0 s LEU 20 N 2.11 2.37 -0.02 3.45 1.43 -0.06 -4.25 118.68 123.71 3fn0 s LEU 20 Ca 0.02 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.39 3fn0 s LEU 20 Cb -0.16 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3fn0 s LEU 20 CO -0.08 -0.04 -0.15 -0.89 0.23 0.00 0.00 176.35 175.42 3fn0 s THR 21 N -1.73 1.21 -0.16 5.49 2.01 0.31 -0.47 115.64 122.30 3fn0 s THR 21 Ca 0.10 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 3fn0 s THR 21 Cb -0.07 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3fn0 s THR 21 CO 0.05 0.35 -0.03 0.00 -0.69 0.00 0.00 174.62 174.30 3fn0 s THR 23 N 0.32 3.52 -0.20 0.00 2.01 -0.68 -1.77 115.64 118.83 3fn0 s THR 23 Ca -0.03 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 3fn0 s THR 23 Cb -0.14 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3fn0 s THR 23 CO 0.03 0.45 0.30 -0.69 -0.69 0.00 0.00 174.62 174.02 3fn0 s VAL 24 N 1.03 5.27 0.17 3.82 1.01 0.33 -1.75 120.40 130.28 3fn0 s VAL 24 Ca 0.01 0.52 0.10 0.00 0.00 0.00 0.00 61.98 62.61 3fn0 s VAL 24 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3fn0 s VAL 24 CO 0.00 0.31 -0.22 -0.44 0.00 0.00 0.00 175.10 174.76 3fn0 s SER 25 N 0.89 3.11 -0.09 3.32 0.01 0.46 -4.79 113.70 116.59 3fn0 s SER 25 Ca 0.15 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.57 3fn0 s SER 25 Cb -0.14 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.88 3fn0 s SER 25 CO 0.06 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3fn0 n GLY 26 N 0.39 0.47 3.62 3.44 0.00 -1.26 -0.36 105.19 111.50 3fn0 n GLY 26 Ca -0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 3fn0 n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fn0 s GLY 27 N -2.23 -0.35 0.59 -0.02 0.00 -1.26 -3.86 107.32 100.18 3fn0 s GLY 27 Ca 0.00 0.89 -0.06 0.00 0.00 0.00 0.00 44.72 45.55 3fn0 s GLY 27 CO 0.00 0.25 0.90 -1.35 0.00 0.00 0.00 173.10 172.90 3fn0 s SER 28 N -2.67 5.58 0.05 1.64 1.04 -1.26 -5.02 113.70 113.06 3fn0 s SER 28 Ca 0.11 0.70 0.22 0.00 0.48 0.00 0.00 55.95 57.46 3fn0 s SER 28 Cb 0.01 -1.68 -0.19 0.00 0.10 0.00 0.00 66.02 64.25 3fn0 s SER 28 CO -0.04 -1.07 0.72 0.23 0.98 0.00 0.00 173.24 174.06 3fn0 n MET 29 N -2.58 0.59 -2.04 4.02 0.00 -1.26 -4.94 117.12 110.91 3fn0 n MET 29 Ca 0.05 -0.07 -0.39 0.00 0.00 0.00 0.00 57.70 57.28 3fn0 n MET 29 Cb 0.58 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 32.18 3fn0 n MET 29 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 3fn0 s ILE 30 N -3.42 2.61 -0.12 2.02 2.07 -1.26 -3.40 121.20 119.69 3fn0 s ILE 30 Ca -0.04 0.51 0.00 0.00 -1.41 0.00 0.00 60.65 59.71 3fn0 s ILE 30 Cb 0.13 -3.28 0.00 0.00 0.13 0.00 0.00 42.46 39.43 3fn0 s ILE 30 CO 0.86 0.04 0.00 0.59 -1.91 0.00 0.00 174.94 174.53 3fn0 n ASN 31 N -0.22 -3.69 -4.24 4.50 3.02 -1.26 -5.02 115.26 108.35 3fn0 n ASN 31 Ca 0.06 0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.50 3fn0 n ASN 31 Cb 0.45 -1.29 -0.10 0.00 -0.61 0.00 0.00 39.78 38.23 3fn0 n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fn0 s TYR 32 N -1.86 1.21 0.35 3.10 1.51 -1.22 -4.62 117.35 115.82 3fn0 s TYR 32 Ca 0.00 -0.87 0.07 0.00 -1.01 0.00 0.00 57.07 55.26 3fn0 s TYR 32 Cb 0.00 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 3fn0 s TYR 32 CO 0.00 -0.04 0.38 0.71 -1.11 0.00 0.00 175.55 175.49 3fn0 s TYR 33 N -3.47 2.95 -0.11 2.71 1.51 -0.66 -4.34 117.35 115.94 3fn0 s TYR 33 Ca 0.19 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3fn0 s TYR 33 Cb 0.04 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.99 3fn0 s TYR 33 CO 0.01 0.05 0.00 -1.58 -1.11 0.00 0.00 175.55 172.92 3fn0 s TRP 34 N -2.28 0.88 0.18 2.71 0.52 -0.04 -1.56 118.94 119.35 3fn0 s TRP 34 Ca 0.44 -0.44 0.11 0.00 0.02 0.00 0.00 56.10 56.23 3fn0 s TRP 34 Cb -0.07 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.28 3fn0 s TRP 34 CO 0.29 -0.43 -0.23 -1.54 0.02 0.00 0.00 176.95 175.05 3fn0 s SER 35 N 1.90 3.50 -0.09 2.95 1.04 -0.87 0.13 113.70 122.27 3fn0 s SER 35 Ca 0.03 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.66 3fn0 s SER 35 Cb -0.14 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 3fn0 s SER 35 CO -0.06 0.13 -0.10 0.26 0.98 0.00 0.00 173.24 174.45 3fn0 s TRP 36 N -1.57 2.86 0.05 5.02 0.52 -0.64 -1.33 118.94 123.85 3fn0 s TRP 36 Ca 0.20 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.14 3fn0 s TRP 36 Cb -0.08 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3fn0 s TRP 36 CO 0.10 0.13 -0.09 0.42 0.02 0.00 0.00 176.95 177.53 3fn0 s ILE 37 N -0.39 0.65 0.06 2.03 1.01 0.10 -0.78 121.20 123.89 3fn0 s ILE 37 Ca 0.05 -1.17 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 3fn0 s ILE 37 Cb -0.12 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3fn0 s ILE 37 CO 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 174.94 174.54 3fn0 s ARG 38 N -1.73 0.67 -0.24 2.79 1.70 -0.33 0.64 118.95 122.45 3fn0 s ARG 38 Ca -0.07 -1.23 -0.03 0.00 -0.47 0.00 0.00 55.73 53.92 3fn0 s ARG 38 Cb -0.09 0.07 0.10 0.00 -0.57 0.00 0.00 34.95 34.46 3fn0 s ARG 38 CO 0.00 -0.08 0.19 -1.14 -1.08 0.00 0.00 175.30 173.20 3fn0 s GLN 39 N -3.79 0.20 0.78 3.89 0.74 0.18 -0.06 119.66 121.60 3fn0 s GLN 39 Ca 0.08 -0.15 -0.11 0.00 0.05 0.00 0.00 55.36 55.23 3fn0 s GLN 39 Cb 0.06 -1.17 0.06 0.00 1.10 0.00 0.00 33.01 33.06 3fn0 s GLN 39 CO -0.08 -0.86 1.08 -2.14 -0.55 0.00 0.00 175.29 172.75 3fn0 s PRO 40 N 2.23 2.17 0.30 1.67 0.02 -1.26 -2.02 135.00 138.12 3fn0 s PRO 40 Ca 0.07 0.97 -0.30 0.00 0.02 0.00 0.00 61.00 61.76 3fn0 s PRO 40 Cb -0.15 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 3fn0 s PRO 40 CO -0.24 -1.64 1.57 -2.30 -0.33 0.00 0.00 177.00 174.06 3fn0 n PRO 41 N -3.50 2.65 -1.50 5.54 -0.02 -1.26 -1.84 135.00 135.07 3fn0 n PRO 41 Ca 0.08 0.94 -0.17 0.00 -2.02 0.00 0.00 63.50 62.33 3fn0 n PRO 41 Cb 0.54 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.24 3fn0 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fn0 n GLY 42 N 1.96 1.69 3.57 -1.23 0.00 -1.26 -5.01 105.19 104.91 3fn0 n GLY 42 Ca 0.08 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3fn0 n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fn0 s GLU 43 N -3.45 1.86 0.87 1.61 2.02 -0.77 -5.15 118.70 115.69 3fn0 s GLU 43 Ca 0.00 -1.98 -0.11 0.00 0.02 0.00 0.00 54.97 52.89 3fn0 s GLU 43 Cb 0.00 -1.69 0.11 0.00 0.10 0.00 0.00 34.13 32.65 3fn0 s GLU 43 CO 0.00 0.09 1.09 -0.98 0.02 0.00 0.00 175.26 175.48 3fn0 s ARG 44 N -3.64 1.47 0.49 1.61 1.70 -1.26 -4.61 118.95 114.71 3fn0 s ARG 44 Ca 0.33 0.78 -0.22 0.00 -0.47 0.00 0.00 55.73 56.16 3fn0 s ARG 44 Cb 0.04 -1.84 -0.07 0.00 -0.57 0.00 0.00 34.95 32.52 3fn0 s ARG 44 CO 0.17 -2.08 1.15 -2.14 -1.08 0.00 0.00 175.30 171.31 3fn0 s PRO 45 N -4.99 3.63 -0.14 3.89 0.02 -1.26 -4.52 135.00 131.63 3fn0 s PRO 45 Ca 0.63 1.70 0.02 0.00 0.02 0.00 0.00 61.00 63.37 3fn0 s PRO 45 Cb -0.17 -2.26 0.01 0.00 0.02 0.00 0.00 34.50 32.10 3fn0 s PRO 45 CO 0.56 -0.64 -0.21 -1.14 -0.33 0.00 0.00 177.00 175.24 3fn0 s GLN 46 N -2.92 2.88 0.00 5.54 0.74 0.91 -4.97 119.66 121.85 3fn0 s GLN 46 Ca 0.67 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 3fn0 s GLN 46 Cb -0.26 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.46 3fn0 s GLN 46 CO 0.31 -0.03 1.10 -0.46 -0.55 0.00 0.00 175.29 175.66 3fn0 s TRP 47 N 0.87 3.49 -0.21 1.67 -0.00 -1.26 -1.19 118.94 122.32 3fn0 s TRP 47 Ca -0.06 1.47 -0.02 0.00 -0.00 0.00 0.00 56.10 57.48 3fn0 s TRP 47 Cb -0.15 -3.28 -0.20 0.00 -0.00 0.00 0.00 33.47 29.83 3fn0 s TRP 47 CO -0.03 -0.70 -0.01 1.28 -0.00 0.00 0.00 176.95 177.49 3fn0 n LEU 48 N 4.22 2.78 0.00 5.86 4.77 0.04 -4.69 117.00 129.99 3fn0 n LEU 48 Ca 0.08 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3fn0 n LEU 48 Cb 0.48 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3fn0 n LEU 48 CO 0.54 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.08 3fn0 n GLY 49 N 2.10 -0.55 3.37 -0.72 0.00 -1.19 -0.77 105.19 107.43 3fn0 n GLY 49 Ca -0.41 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 3fn0 n GLY 49 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3fn0 s HIS 50 N -2.00 0.61 0.08 1.61 -3.43 0.14 -1.63 115.29 110.68 3fn0 s HIS 50 Ca 0.00 -0.94 0.05 0.00 -0.80 0.00 0.00 55.06 53.38 3fn0 s HIS 50 Cb 0.00 -0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 30.99 3fn0 s HIS 50 CO 0.00 -0.78 -0.14 -1.50 -2.00 0.00 0.00 174.74 170.32 3fn0 s ILE 51 N -4.04 1.15 0.37 -5.38 2.07 0.12 -1.75 121.20 113.74 3fn0 s ILE 51 Ca 0.25 -1.38 0.07 0.00 -1.41 0.00 0.00 60.65 58.19 3fn0 s ILE 51 Cb 0.03 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 3fn0 s ILE 51 CO 0.06 -0.26 0.39 0.27 -1.91 0.00 0.00 174.94 173.50 3fn0 s ILE 52 N -1.42 3.29 0.26 2.00 -4.36 -0.28 -0.86 121.20 119.83 3fn0 s ILE 52 Ca -0.00 -1.23 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 3fn0 s ILE 52 Cb -0.09 -3.14 0.27 0.00 1.25 0.00 0.00 42.46 40.74 3fn0 s ILE 52 CO 0.02 -0.09 1.87 0.22 0.24 0.00 0.00 174.94 177.20 3fn0 h TYR 53 N 1.02 1.17 0.00 1.37 3.20 -1.86 0.89 116.97 122.77 3fn0 h TYR 53 Ca -0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3fn0 h TYR 53 Cb 1.26 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.15 3fn0 h TYR 53 CO 0.49 0.59 0.00 0.41 -1.64 0.00 0.00 178.16 178.00 3fn0 n GLY 54 N -1.36 -0.92 0.00 1.82 0.00 -1.26 -4.90 105.19 98.57 3fn0 n GLY 54 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3fn0 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fn0 n GLY 55 N -0.53 3.14 3.77 -0.02 0.00 0.31 -5.08 105.19 106.77 3fn0 n GLY 55 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3fn0 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fn0 s THR 56 N -2.72 2.36 0.33 2.61 2.01 -1.26 -4.71 115.64 114.26 3fn0 s THR 56 Ca 0.00 0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.43 3fn0 s THR 56 Cb 0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 3fn0 s THR 56 CO 0.00 0.07 0.03 0.42 -0.69 0.00 0.00 174.62 174.45 3fn0 s THR 57 N -0.78 2.78 -0.12 -0.82 -4.23 -1.26 -1.12 115.64 110.08 3fn0 s THR 57 Ca 0.54 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 59.04 3fn0 s THR 57 Cb -0.44 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.62 3fn0 s THR 57 CO 0.55 -0.22 0.31 -0.75 -0.54 0.00 0.00 174.62 173.97 3fn0 s LYS 58 N -3.73 0.32 0.19 3.99 2.20 -0.72 -4.99 119.74 116.99 3fn0 s LYS 58 Ca 0.35 0.55 0.10 0.00 -0.36 0.00 0.00 55.97 56.61 3fn0 s LYS 58 Cb -0.01 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 3fn0 s LYS 58 CO 0.20 -0.11 -0.21 0.71 -0.36 0.00 0.00 175.35 175.58 3fn0 s TYR 59 N 0.81 2.08 0.03 4.03 4.12 -1.26 -0.68 117.35 126.47 3fn0 s TYR 59 Ca -0.05 -0.41 -0.30 0.00 0.02 0.00 0.00 57.07 56.33 3fn0 s TYR 59 Cb -0.06 -1.02 -0.07 0.00 -1.52 0.00 0.00 41.96 39.30 3fn0 s TYR 59 CO -0.06 0.45 1.50 1.21 0.02 0.00 0.00 175.55 178.67 3fn0 s ASN 60 N -2.77 6.75 0.65 2.29 3.84 0.05 -4.87 114.94 120.87 3fn0 s ASN 60 Ca 0.19 2.27 0.36 0.00 0.21 0.00 0.00 52.86 55.90 3fn0 s ASN 60 Cb -0.07 -2.56 2.01 0.00 -0.55 0.00 0.00 41.25 40.09 3fn0 s ASN 60 CO 0.09 -0.79 2.18 -0.65 -2.79 0.00 0.00 177.10 175.14 3fn0 h PRO 61 N 8.01 0.00 0.00 0.43 0.11 -1.96 0.10 132.00 138.70 3fn0 h PRO 61 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3fn0 h PRO 61 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fn0 h PRO 61 CO 0.91 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 3fn0 n SER 62 N -3.21 0.00 -0.01 -2.05 3.41 -1.26 -2.96 113.62 107.54 3fn0 n SER 62 Ca -0.02 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3fn0 n SER 62 Cb 0.22 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3fn0 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fn0 n LEU 63 N -1.31 0.97 -0.28 1.04 4.77 0.31 -4.88 117.00 117.62 3fn0 n LEU 63 Ca 0.13 -0.97 0.09 0.00 -0.03 0.00 0.00 56.01 55.23 3fn0 n LEU 63 Cb 0.24 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.55 3fn0 n LEU 63 CO 0.23 0.24 0.86 -0.08 -1.33 0.00 0.00 177.39 177.31 3fn0 h GLU 64 N 0.07 0.13 -0.21 3.23 4.57 -1.34 -0.44 114.58 120.59 3fn0 h GLU 64 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3fn0 h GLU 64 Cb 0.02 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3fn0 h GLU 64 CO 0.00 0.08 0.11 0.77 -1.18 0.00 0.00 179.01 178.79 3fn0 h SER 65 N 0.13 0.25 -0.00 1.04 0.02 -1.89 -3.28 113.55 109.81 3fn0 h SER 65 Ca 0.49 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 3fn0 h SER 65 Cb 0.92 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3fn0 h SER 65 CO -0.70 0.21 -0.24 0.54 -1.14 0.00 0.00 176.83 175.50 3fn0 n ARG 66 N -4.48 2.90 -4.16 3.45 1.74 -0.20 -4.98 116.66 110.93 3fn0 n ARG 66 Ca 0.00 -0.37 -0.34 0.00 -0.77 0.00 0.00 57.85 56.37 3fn0 n ARG 66 Cb 0.10 -0.98 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3fn0 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3fn0 s ILE 67 N -1.39 4.69 -0.01 0.55 2.07 -1.05 -0.40 121.20 125.66 3fn0 s ILE 67 Ca 0.06 -0.29 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 3fn0 s ILE 67 Cb 0.07 -3.08 0.01 0.00 0.13 0.00 0.00 42.46 39.59 3fn0 s ILE 67 CO 0.25 0.46 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.82 3fn0 s THR 68 N -1.08 0.31 -0.04 4.00 2.01 0.65 -4.99 115.64 116.51 3fn0 s THR 68 Ca 0.19 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.15 3fn0 s THR 68 Cb -0.12 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 3fn0 s THR 68 CO 0.09 0.12 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.28 3fn0 s ILE 69 N 0.28 2.30 0.20 1.82 1.01 -1.26 -0.66 121.20 124.89 3fn0 s ILE 69 Ca -0.03 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.62 3fn0 s ILE 69 Cb -0.06 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 3fn0 s ILE 69 CO -0.00 0.58 0.07 -0.94 0.00 0.00 0.00 174.94 174.64 3fn0 s SER 70 N -0.52 0.81 -0.03 3.58 1.04 -0.72 -4.94 113.70 112.93 3fn0 s SER 70 Ca 0.07 -1.29 -0.07 0.00 0.48 0.00 0.00 55.95 55.14 3fn0 s SER 70 Cb -0.11 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3fn0 s SER 70 CO 0.00 -0.71 0.17 0.00 0.98 0.00 0.00 173.24 173.69 3fn0 s ARG 71 N -4.03 0.38 -0.27 4.02 1.04 -1.26 -0.02 118.95 118.81 3fn0 s ARG 71 Ca 0.31 -0.12 0.01 0.00 -1.04 0.00 0.00 55.73 54.90 3fn0 s ARG 71 Cb 0.07 0.17 0.08 0.00 -2.04 0.00 0.00 34.95 33.22 3fn0 s ARG 71 CO 0.08 -0.08 -0.01 0.34 -0.04 0.00 0.00 175.30 175.59 3fn0 s ASP 72 N -0.77 4.11 0.06 -2.89 3.68 0.73 -4.97 116.67 116.63 3fn0 s ASP 72 Ca -0.09 -1.48 -0.20 0.00 2.13 0.00 0.00 52.55 52.91 3fn0 s ASP 72 Cb -0.05 -1.24 -0.12 0.00 -1.45 0.00 0.00 42.92 40.07 3fn0 s ASP 72 CO 0.01 -0.30 1.48 0.40 0.13 0.00 0.00 175.17 176.90 3fn0 h ILE 73 N 6.63 1.26 -0.75 4.11 1.08 -1.96 -0.52 117.51 127.36 3fn0 h ILE 73 Ca -0.14 -0.90 0.18 0.00 -0.39 0.00 0.00 64.86 63.61 3fn0 h ILE 73 Cb 1.05 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 36.27 3fn0 h ILE 73 CO 0.45 0.27 0.51 0.77 -0.69 0.00 0.00 178.15 179.46 3fn0 h SER 74 N 0.05 0.21 -0.39 1.72 4.64 -1.95 -1.33 113.55 116.50 3fn0 h SER 74 Ca 0.05 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3fn0 h SER 74 Cb 0.41 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3fn0 h SER 74 CO 0.01 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 3fn0 n LYS 75 N -4.42 2.39 -3.77 4.77 4.01 -0.79 -4.97 118.16 115.37 3fn0 n LYS 75 Ca 0.15 -2.19 -0.27 0.00 -0.51 0.00 0.00 58.31 55.49 3fn0 n LYS 75 Cb 0.66 -1.45 0.05 0.00 -0.51 0.00 0.00 35.03 33.78 3fn0 n LYS 75 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3fn0 n ASN 76 N 1.27 -4.55 -4.06 4.39 3.02 -0.27 -4.85 115.26 110.21 3fn0 n ASN 76 Ca 0.17 -0.71 -0.07 0.00 -0.03 0.00 0.00 54.58 53.94 3fn0 n ASN 76 Cb 0.55 -4.29 -0.10 0.00 -0.61 0.00 0.00 39.78 35.33 3fn0 n ASN 76 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fn0 s GLN 77 N -6.38 0.55 0.07 3.52 -0.21 -0.94 -0.51 119.66 115.76 3fn0 s GLN 77 Ca 0.51 -1.08 -0.06 0.00 0.02 0.00 0.00 55.36 54.75 3fn0 s GLN 77 Cb -0.25 0.19 -0.01 0.00 1.00 0.00 0.00 33.01 33.94 3fn0 s GLN 77 CO 0.80 -0.10 0.12 -0.59 -2.12 0.00 0.00 175.29 173.39 3fn0 s PHE 78 N -3.37 0.26 0.04 0.91 -0.12 -0.73 -0.19 117.98 114.78 3fn0 s PHE 78 Ca 0.02 -0.71 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 3fn0 s PHE 78 Cb 0.04 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 3fn0 s PHE 78 CO -0.08 -0.47 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.48 3fn0 s SER 79 N -2.78 0.34 -0.07 1.98 0.01 0.96 -0.34 113.70 113.81 3fn0 s SER 79 Ca 0.04 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.62 3fn0 s SER 79 Cb 0.05 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 3fn0 s SER 79 CO -0.10 -0.46 -0.17 -0.22 0.41 0.00 0.00 173.24 172.70 3fn0 s LEU 80 N -2.19 2.54 -0.09 2.44 2.96 0.38 -1.76 118.68 122.97 3fn0 s LEU 80 Ca -0.04 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3fn0 s LEU 80 Cb -0.01 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.19 3fn0 s LEU 80 CO -0.05 0.28 -0.10 0.00 -1.32 0.00 0.00 176.35 175.16 3fn0 s ARG 81 N -0.36 1.64 -0.23 1.98 1.70 0.17 -0.88 118.95 122.96 3fn0 s ARG 81 Ca 0.03 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 3fn0 s ARG 81 Cb -0.12 -1.49 0.06 0.00 -0.57 0.00 0.00 34.95 32.82 3fn0 s ARG 81 CO 0.02 -0.10 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.94 3fn0 s LEU 82 N 1.11 2.42 0.63 -1.89 2.96 0.10 -0.25 118.68 123.75 3fn0 s LEU 82 Ca -0.06 -1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 52.57 3fn0 s LEU 82 Cb -0.14 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 3fn0 s LEU 82 CO -0.02 -0.25 1.04 0.20 -1.32 0.00 0.00 176.35 176.00 3fn0 s ASN 82 N 1.45 5.93 -1.30 3.68 0.01 0.47 -0.72 114.94 124.46 3fn0 s ASN 82 Ca -0.04 1.55 -0.01 0.00 -0.71 0.00 0.00 52.86 53.65 3fn0 s ASN 82 Cb -0.19 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3fn0 s ASN 82 CO -0.07 -1.07 0.77 -1.20 -1.51 0.00 0.00 177.10 174.02 3fn0 n SER 82 N -2.68 -1.55 -4.74 -1.22 7.64 -0.74 -4.86 113.62 105.47 3fn0 n SER 82 Ca 0.07 -0.78 -0.36 0.00 1.01 0.00 0.00 58.87 58.81 3fn0 n SER 82 Cb 0.54 -4.23 0.05 0.00 -1.01 0.00 0.00 64.21 59.56 3fn0 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3fn0 s VAL 82 N -3.60 2.48 0.47 0.44 -7.23 -0.51 -4.60 120.40 107.86 3fn0 s VAL 82 Ca 0.04 0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.52 3fn0 s VAL 82 Cb -0.02 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 3fn0 s VAL 82 CO 0.80 -0.08 0.07 0.42 -0.31 0.00 0.00 175.10 175.99 3fn0 s THR 83 N -1.68 0.82 0.54 5.32 -4.23 -1.26 -0.92 115.64 114.22 3fn0 s THR 83 Ca 0.77 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.50 3fn0 s THR 83 Cb -0.31 -2.18 0.33 0.00 1.34 0.00 0.00 72.50 71.68 3fn0 s THR 83 CO 0.37 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.55 3fn0 h ALA 84 N 1.51 2.14 0.00 3.99 0.00 -1.98 -0.28 119.26 124.64 3fn0 h ALA 84 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3fn0 h ALA 84 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3fn0 h ALA 84 CO 0.65 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3fn0 n ALA 85 N -2.54 1.54 1.42 0.00 0.00 -1.26 -1.92 120.51 117.75 3fn0 n ALA 85 Ca 0.02 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.64 3fn0 n ALA 85 Cb 0.31 -1.28 0.52 0.00 0.00 0.00 0.00 19.45 19.00 3fn0 n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fn0 n ASP 86 N -1.88 0.99 -4.68 0.00 10.43 -0.12 -4.88 116.55 116.42 3fn0 n ASP 86 Ca 0.02 -1.04 -0.47 0.00 2.57 0.00 0.00 54.79 55.87 3fn0 n ASP 86 Cb 0.16 0.03 -0.04 0.00 1.84 0.00 0.00 41.12 43.11 3fn0 n ASP 86 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 3fn0 n THR 87 N -0.46 0.36 0.00 -3.53 -1.04 -0.81 -4.83 114.28 103.97 3fn0 n THR 87 Ca 0.16 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3fn0 n THR 87 Cb 0.32 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 3fn0 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fn0 n ALA 88 N 5.38 0.00 -2.65 2.41 0.00 -0.56 -4.58 120.51 120.52 3fn0 n ALA 88 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3fn0 n ALA 88 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 3fn0 n ALA 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fn0 s ILE 89 N -2.00 4.79 -0.15 0.00 1.01 -0.86 -0.35 121.20 123.65 3fn0 s ILE 89 Ca 0.00 1.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.23 3fn0 s ILE 89 Cb 0.00 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3fn0 s ILE 89 CO 0.00 -0.10 0.22 -0.31 0.00 0.00 0.00 174.94 174.75 3fn0 s TYR 90 N 2.93 3.49 -0.08 3.97 2.02 0.05 -0.65 117.35 129.09 3fn0 s TYR 90 Ca 0.37 0.53 0.05 0.00 -0.37 0.00 0.00 57.07 57.65 3fn0 s TYR 90 Cb -0.15 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 3fn0 s TYR 90 CO 0.07 0.39 -0.23 0.71 -1.57 0.00 0.00 175.55 174.92 3fn0 s TYR 91 N 0.01 2.53 0.28 2.71 2.02 0.21 -0.95 117.35 124.16 3fn0 s TYR 91 Ca 0.14 -0.79 -0.18 0.00 -0.37 0.00 0.00 57.07 55.87 3fn0 s TYR 91 Cb -0.12 -1.66 -0.09 0.00 -0.40 0.00 0.00 41.96 39.68 3fn0 s TYR 91 CO 0.03 -0.26 0.74 0.00 -1.57 0.00 0.00 175.55 174.49 3fn0 s ALA 93 N -1.76 -0.66 0.20 0.00 0.00 -0.44 -0.96 121.76 118.13 3fn0 s ALA 93 Ca 0.49 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3fn0 s ALA 93 Cb -0.13 -0.46 -0.08 0.00 0.00 0.00 0.00 23.12 22.45 3fn0 s ALA 93 CO 0.19 -0.13 1.14 0.50 0.00 0.00 0.00 175.76 177.46 3fn0 s ARG 94 N 0.22 4.56 -0.28 0.00 3.52 0.16 -2.05 118.95 125.09 3fn0 s ARG 94 Ca -0.01 1.80 -0.03 0.00 -0.13 0.00 0.00 55.73 57.36 3fn0 s ARG 94 Cb -0.02 -3.25 0.03 0.00 -1.56 0.00 0.00 34.95 30.15 3fn0 s ARG 94 CO -0.00 0.03 -0.01 0.08 -0.81 0.00 0.00 175.30 174.59 3fn0 s VAL 95 N -0.34 3.11 -0.24 7.11 1.01 -0.60 -0.17 120.40 130.28 3fn0 s VAL 95 Ca 0.50 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3fn0 s VAL 95 Cb -0.31 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 3fn0 s VAL 95 CO 0.37 0.07 1.21 0.00 0.00 0.00 0.00 175.10 176.74 3fn0 s ALA 96 N 1.33 3.55 0.32 5.51 0.00 0.85 -1.65 121.76 131.67 3fn0 s ALA 96 Ca -0.01 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.24 3fn0 s ALA 96 Cb -0.18 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.21 3fn0 s ALA 96 CO -0.02 -1.38 -0.03 0.96 0.00 0.00 0.00 175.76 175.29 3fn0 s ILE 97 N 3.73 1.76 0.00 0.00 -0.00 -1.26 -1.60 121.20 123.83 3fn0 s ILE 97 Ca 0.52 -2.10 0.00 0.00 -0.00 0.00 0.00 60.65 59.07 3fn0 s ILE 97 Cb -0.18 -2.65 0.00 0.00 -0.00 0.00 0.00 42.46 39.63 3fn0 s ILE 97 CO 0.16 -0.17 0.00 0.61 -0.00 0.00 0.00 174.94 175.53 3fn0 n GLY 98 N -0.72 1.50 3.78 6.27 0.00 -1.26 -4.98 105.19 109.78 3fn0 n GLY 98 Ca -0.05 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 3fn0 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fn0 s VAL 99 N -2.00 4.31 0.05 1.61 -7.23 -1.26 -4.98 120.40 110.90 3fn0 s VAL 99 Ca 0.00 1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 61.89 3fn0 s VAL 99 Cb 0.00 -4.08 -0.00 0.00 0.56 0.00 0.00 36.38 32.86 3fn0 s VAL 99 CO 0.00 0.34 -0.01 -0.24 -0.31 0.00 0.00 175.10 174.87 3fn0 n SER 100 N 1.08 0.72 0.00 4.85 2.88 -0.47 -5.08 113.62 117.59 3fn0 n SER 100 Ca -0.02 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3fn0 n SER 100 Cb 0.49 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 3fn0 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fn0 n GLY 100 N 3.23 4.63 0.13 0.46 0.00 -1.23 -4.97 105.19 107.44 3fn0 n GLY 100 Ca -0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 3fn0 n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fn0 h PHE 100 N 0.00 -0.25 -1.00 1.61 -1.00 -2.04 -3.36 116.94 110.89 3fn0 h PHE 100 Ca 0.00 -0.01 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 3fn0 h PHE 100 Cb 0.00 0.08 -0.41 0.00 3.61 0.00 0.00 35.95 39.23 3fn0 h PHE 100 CO 0.00 -0.15 -0.59 1.47 -1.61 0.00 0.00 178.31 177.42 3fn0 n LEU 100 N -4.06 5.19 -4.57 1.54 -0.00 -1.26 -5.15 117.00 108.70 3fn0 n LEU 100 Ca -0.03 -4.83 -0.26 0.00 -0.00 0.00 0.00 56.01 50.88 3fn0 n LEU 100 Cb 0.11 -0.45 -0.11 0.00 -0.00 0.00 0.00 43.42 42.97 3fn0 n LEU 100 CO 0.08 2.08 -0.31 0.20 -0.00 0.00 0.00 177.39 179.44 3fn0 s ASN 100 N -3.36 3.54 0.00 1.45 0.02 -1.26 -5.07 114.94 110.26 3fn0 s ASN 100 Ca 0.51 -1.33 0.00 0.00 -1.02 0.00 0.00 52.86 51.02 3fn0 s ASN 100 Cb 0.42 -0.33 0.00 0.00 0.02 0.00 0.00 41.25 41.36 3fn0 s ASN 100 CO -0.04 -0.43 0.00 -1.22 0.02 0.00 0.00 177.10 175.44 3fn0 n TYR 100 N -0.87 0.00 -2.76 2.20 4.01 -0.63 -1.37 117.16 117.74 3fn0 n TYR 100 Ca -0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 3fn0 n TYR 100 Cb 0.66 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.66 3fn0 n TYR 100 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3fn0 s MET 100 N 0.00 3.46 -0.00 -0.72 -1.94 -1.26 -0.11 119.30 118.73 3fn0 s MET 100 Ca 0.00 -1.22 0.20 0.00 -1.71 0.00 0.00 55.69 52.96 3fn0 s MET 100 Cb 0.00 -4.84 -0.21 0.00 2.01 0.00 0.00 34.83 31.79 3fn0 s MET 100 CO 0.00 -1.96 0.58 -0.40 -0.01 0.00 0.00 175.02 173.23 3fn0 n ASP 101 N 7.81 0.37 -3.94 3.03 3.85 0.76 -4.74 116.55 123.68 3fn0 n ASP 101 Ca 0.19 0.16 -0.28 0.00 -0.71 0.00 0.00 54.79 54.15 3fn0 n ASP 101 Cb 0.49 1.05 -0.17 0.00 -1.35 0.00 0.00 41.12 41.14 3fn0 n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3fn0 s VAL 102 N -3.13 1.20 -0.06 2.12 1.01 -1.20 -4.98 120.40 115.35 3fn0 s VAL 102 Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3fn0 s VAL 102 Cb 0.10 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3fn0 s VAL 102 CO 0.85 0.40 0.13 0.26 0.00 0.00 0.00 175.10 176.74 3fn0 s TRP 103 N 1.61 3.49 0.05 5.22 0.52 -1.26 0.39 118.94 128.96 3fn0 s TRP 103 Ca 0.04 0.39 -0.01 0.00 0.02 0.00 0.00 56.10 56.54 3fn0 s TRP 103 Cb -0.13 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.35 3fn0 s TRP 103 CO -0.09 0.65 0.05 0.41 0.02 0.00 0.00 176.95 178.00 3fn0 n GLY 104 N 1.51 -2.21 0.10 0.98 0.00 -0.14 -4.61 105.19 100.82 3fn0 n GLY 104 Ca -0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 3fn0 n GLY 104 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3fn0 h SER 105 N -0.90 0.00 -3.85 1.61 0.87 -1.87 -3.47 113.55 105.94 3fn0 h SER 105 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3fn0 h SER 105 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3fn0 h SER 105 CO 0.01 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.57 3fn0 n GLY 106 N 1.38 2.24 2.84 5.77 0.00 -1.26 -5.05 105.19 111.11 3fn0 n GLY 106 Ca -0.08 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 3fn0 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fn0 s THR 107 N -1.77 0.34 -0.25 2.61 -1.32 -0.12 -4.91 115.64 110.21 3fn0 s THR 107 Ca 0.00 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.20 3fn0 s THR 107 Cb 0.00 -0.42 -0.00 0.00 -1.51 0.00 0.00 72.50 70.57 3fn0 s THR 107 CO 0.00 0.19 1.26 0.00 -2.21 0.00 0.00 174.62 173.86 3fn0 s ALA 108 N 1.11 3.49 -0.21 11.08 0.00 -1.26 -0.77 121.76 135.19 3fn0 s ALA 108 Ca -0.08 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 3fn0 s ALA 108 Cb -0.14 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 3fn0 s ALA 108 CO -0.01 -1.51 0.03 0.08 0.00 0.00 0.00 175.76 174.35 3fn0 s VAL 109 N 3.97 4.19 -0.18 0.00 1.01 0.53 -4.65 120.40 125.27 3fn0 s VAL 109 Ca 0.54 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 3fn0 s VAL 109 Cb -0.18 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3fn0 s VAL 109 CO 0.19 0.40 -0.03 -0.89 0.00 0.00 0.00 175.10 174.77 3fn0 s THR 110 N 1.13 3.85 -0.21 3.92 2.01 -0.12 -1.49 115.64 124.72 3fn0 s THR 110 Ca 0.03 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 3fn0 s THR 110 Cb -0.14 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 3fn0 s THR 110 CO 0.02 0.46 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.66 3fn0 s VAL 111 N 0.70 3.22 -0.04 3.82 1.01 -1.26 -1.22 120.40 126.63 3fn0 s VAL 111 Ca -0.01 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3fn0 s VAL 111 Cb -0.14 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.86 3fn0 s VAL 111 CO 0.02 0.44 0.70 -0.55 0.00 0.00 0.00 175.10 175.71 3fn0 s SER 112 N 1.42 -0.63 0.33 3.32 0.15 -0.87 -4.16 113.70 113.27 3fn0 s SER 112 Ca 0.05 0.62 0.26 0.00 0.70 0.00 0.00 55.95 57.58 3fn0 s SER 112 Cb -0.14 0.53 0.75 0.00 -1.71 0.00 0.00 66.02 65.45 3fn0 s SER 112 CO -0.04 -0.62 1.74 0.77 1.20 0.00 0.00 173.24 176.28 3fn0 h SER 113 N 2.86 0.00 -4.23 5.45 4.64 -1.96 -3.38 113.55 116.93 3fn0 h SER 113 Ca -0.27 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.52 3fn0 h SER 113 Cb 1.16 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.43 3fn0 h SER 113 CO 0.38 0.00 0.30 0.00 -0.87 0.00 0.00 176.83 176.64 3fn0 s ALA 114 N -3.23 1.73 0.00 5.18 0.00 -1.26 -5.03 121.76 119.15 3fn0 s ALA 114 Ca 0.07 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.81 3fn0 s ALA 114 Cb 0.09 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3fn0 s ALA 114 CO 0.58 -2.43 -0.10 -1.12 0.00 0.00 0.00 175.76 172.69 3fn0 s SER 115 N -2.37 4.36 0.13 0.00 0.01 -1.26 -5.04 113.70 109.52 3fn0 s SER 115 Ca 0.71 -0.21 -0.35 0.00 1.31 0.00 0.00 55.95 57.41 3fn0 s SER 115 Cb -0.26 -0.95 -0.16 0.00 0.21 0.00 0.00 66.02 64.86 3fn0 s SER 115 CO 0.53 0.29 1.26 0.41 0.41 0.00 0.00 173.24 176.14 3fn0 n THR 116 N 1.69 0.41 -3.67 1.44 -1.04 -1.26 -4.74 114.28 107.11 3fn0 n THR 116 Ca -0.16 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.05 61.61 3fn0 n THR 116 Cb 0.52 -0.83 -0.08 0.00 -1.82 0.00 0.00 70.33 68.12 3fn0 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3fn0 s LYS 117 N 0.09 0.70 0.42 -2.82 2.20 0.35 -4.93 119.74 115.74 3fn0 s LYS 117 Ca 0.79 0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 56.96 3fn0 s LYS 117 Cb -0.91 0.34 -0.07 0.00 -1.51 0.00 0.00 37.83 35.68 3fn0 s LYS 117 CO 0.49 -0.11 0.81 0.20 -0.36 0.00 0.00 175.35 176.38 3fn0 s GLY 118 N 0.07 2.01 0.69 5.54 0.00 -1.26 -0.77 107.32 113.60 3fn0 s GLY 118 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.48 3fn0 s GLY 118 CO 0.02 0.11 1.07 2.56 0.00 0.00 0.00 173.10 176.86 3fn0 s PRO 119 N -3.80 2.81 -0.05 2.90 0.05 -1.26 -4.64 135.00 131.00 3fn0 s PRO 119 Ca 0.53 1.10 -0.10 0.00 0.05 0.00 0.00 61.00 62.58 3fn0 s PRO 119 Cb -0.10 -1.97 -0.05 0.00 0.05 0.00 0.00 34.50 32.43 3fn0 s PRO 119 CO 0.30 -1.21 0.27 -1.12 0.05 0.00 0.00 177.00 175.29 3fn0 s SER 120 N -3.37 6.58 -0.24 6.66 0.01 -0.42 -4.90 113.70 118.01 3fn0 s SER 120 Ca 0.61 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.57 3fn0 s SER 120 Cb -0.16 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 63.97 3fn0 s SER 120 CO 0.50 0.36 -0.11 -0.69 0.41 0.00 0.00 173.24 173.71 3fn0 s VAL 121 N -1.08 2.30 0.01 3.43 1.01 -1.26 -0.45 120.40 124.36 3fn0 s VAL 121 Ca 0.20 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3fn0 s VAL 121 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3fn0 s VAL 121 CO 0.09 0.12 -0.02 -0.36 0.00 0.00 0.00 175.10 174.93 3fn0 s PHE 122 N 1.18 3.01 0.34 5.22 0.08 -0.21 -4.94 117.98 122.66 3fn0 s PHE 122 Ca -0.04 0.03 -0.28 0.00 0.12 0.00 0.00 56.93 56.76 3fn0 s PHE 122 Cb -0.18 -1.64 -0.10 0.00 -0.57 0.00 0.00 43.02 40.54 3fn0 s PHE 122 CO -0.06 0.44 1.20 -1.25 -0.10 0.00 0.00 175.22 175.45 3fn0 s PRO 123 N -1.62 4.35 -0.64 0.24 0.04 -1.26 0.11 135.00 136.22 3fn0 s PRO 123 Ca 0.20 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 3fn0 s PRO 123 Cb -0.11 -2.99 0.17 0.00 0.04 0.00 0.00 34.50 31.60 3fn0 s PRO 123 CO 0.10 -0.11 0.53 -0.51 0.04 0.00 0.00 177.00 177.06 3fn0 s LEU 124 N -1.90 5.97 0.36 -3.56 1.43 0.33 -4.78 118.68 116.53 3fn0 s LEU 124 Ca 0.50 -2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 50.92 3fn0 s LEU 124 Cb -0.35 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 3fn0 s LEU 124 CO 0.45 -0.58 1.03 0.00 0.23 0.00 0.00 176.35 177.48 3fn0 s ALA 125 N 0.58 3.17 0.36 4.21 0.00 -1.26 -1.20 121.76 127.61 3fn0 s ALA 125 Ca 0.13 0.69 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 3fn0 s ALA 125 Cb -0.19 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3fn0 s ALA 125 CO -0.04 -0.11 1.51 -2.30 0.00 0.00 0.00 175.76 174.83 3fn0 n PRO 126 N 0.29 2.68 -2.00 0.00 -0.02 -1.26 -4.88 135.00 129.82 3fn0 n PRO 126 Ca 0.03 0.94 -0.41 0.00 -2.02 0.00 0.00 63.50 62.05 3fn0 n PRO 126 Cb 0.49 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 3fn0 n PRO 126 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fn0 s SER 127 N 0.02 6.62 0.49 2.55 0.15 -1.26 -4.69 113.70 117.58 3fn0 s SER 127 Ca 0.56 2.79 0.32 0.00 0.70 0.00 0.00 55.95 60.32 3fn0 s SER 127 Cb -0.48 -2.65 1.41 0.00 -1.71 0.00 0.00 66.02 62.59 3fn0 s SER 127 CO 0.60 -0.67 1.96 0.77 1.20 0.00 0.00 173.24 177.10 3fn0 h SER 128 N 3.66 0.00 0.00 5.45 4.64 -2.00 -3.50 113.55 121.80 3fn0 h SER 128 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fn0 h SER 128 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3fn0 h SER 128 CO 0.68 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.93 3fn0 n LYS 129 N -2.85 0.00 0.00 4.77 4.01 -1.26 -5.26 118.16 117.57 3fn0 n LYS 129 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3fn0 n LYS 129 Cb 0.25 -0.12 0.00 0.00 -0.51 0.00 0.00 35.03 34.64 3fn0 n LYS 129 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3fn0 n GLY 134 N 1.27 0.00 3.37 0.72 0.00 -1.26 -5.13 105.19 104.16 3fn0 n GLY 134 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3fn0 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fn0 s THR 135 N 0.00 2.65 0.18 2.61 2.01 -1.26 -1.14 115.64 120.69 3fn0 s THR 135 Ca 0.00 -0.85 0.11 0.00 0.31 0.00 0.00 61.69 61.26 3fn0 s THR 135 Cb 0.00 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3fn0 s THR 135 CO 0.00 0.57 -0.24 0.00 -0.69 0.00 0.00 174.62 174.26 3fn0 s ALA 136 N -0.27 2.52 0.05 7.40 0.00 0.14 -4.76 121.76 126.85 3fn0 s ALA 136 Ca 0.01 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.45 3fn0 s ALA 136 Cb -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3fn0 s ALA 136 CO 0.03 0.46 -0.19 0.00 0.00 0.00 0.00 175.76 176.05 3fn0 s ALA 137 N -1.54 2.55 0.31 0.00 0.00 -1.26 -0.07 121.76 121.75 3fn0 s ALA 137 Ca 0.20 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 3fn0 s ALA 137 Cb -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3fn0 s ALA 137 CO 0.09 0.57 0.50 -0.48 0.00 0.00 0.00 175.76 176.44 3fn0 s LEU 140 N -1.45 0.68 0.00 0.00 0.05 -0.32 -4.02 118.68 113.62 3fn0 s LEU 140 Ca 0.14 -1.27 -0.12 0.00 0.05 0.00 0.00 54.13 52.93 3fn0 s LEU 140 Cb -0.10 1.68 0.04 0.00 -2.05 0.00 0.00 46.19 45.75 3fn0 s LEU 140 CO 0.05 -1.28 0.54 0.61 -0.55 0.00 0.00 176.35 175.73 3fn0 n GLY 141 N -0.49 0.31 2.96 -3.48 0.00 -0.34 -0.27 105.19 103.87 3fn0 n GLY 141 Ca -0.01 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 3fn0 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fn0 s LEU 143 N 0.48 4.04 -0.44 0.00 2.96 0.12 -1.11 118.68 124.74 3fn0 s LEU 143 Ca -0.07 0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3fn0 s LEU 143 Cb -0.11 -2.33 0.11 0.00 0.50 0.00 0.00 46.19 44.36 3fn0 s LEU 143 CO 0.01 -0.13 0.27 -0.69 -1.32 0.00 0.00 176.35 174.49 3fn0 s VAL 144 N 1.88 3.87 0.02 1.68 1.01 0.15 -1.05 120.40 127.96 3fn0 s VAL 144 Ca 0.13 -1.79 0.09 0.00 0.00 0.00 0.00 61.98 60.41 3fn0 s VAL 144 Cb -0.16 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3fn0 s VAL 144 CO 0.10 -0.67 -0.26 -0.75 0.00 0.00 0.00 175.10 173.52 3fn0 s LYS 145 N 1.30 1.92 -0.65 2.72 2.20 0.40 -1.35 119.74 126.28 3fn0 s LYS 145 Ca 0.06 -1.04 -0.01 0.00 -0.36 0.00 0.00 55.97 54.61 3fn0 s LYS 145 Cb -0.24 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 3fn0 s LYS 145 CO -0.01 0.53 0.55 -0.25 -0.36 0.00 0.00 175.35 175.81 3fn0 n ASP 146 N 1.98 -2.96 -4.50 1.43 8.00 -0.03 -1.31 116.55 119.16 3fn0 n ASP 146 Ca -0.17 -0.37 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 3fn0 n ASP 146 Cb 0.52 -3.15 -0.10 0.00 -0.02 0.00 0.00 41.12 38.37 3fn0 n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3fn0 s TYR 147 N -3.21 2.35 -0.28 1.24 -0.85 -0.88 -4.22 117.35 111.50 3fn0 s TYR 147 Ca 0.09 -0.38 -0.24 0.00 -0.52 0.00 0.00 57.07 56.03 3fn0 s TYR 147 Cb -0.01 -1.13 0.09 0.00 0.38 0.00 0.00 41.96 41.30 3fn0 s TYR 147 CO 0.42 0.67 0.84 0.12 -1.52 0.00 0.00 175.55 176.08 3fn0 s PHE 148 N -2.53 -0.69 0.26 -3.49 5.36 0.05 -0.05 117.98 116.89 3fn0 s PHE 148 Ca 0.31 1.64 -0.04 0.00 -0.96 0.00 0.00 56.93 57.88 3fn0 s PHE 148 Cb -0.03 0.33 0.06 0.00 -0.34 0.00 0.00 43.02 43.04 3fn0 s PHE 148 CO 0.16 -0.33 0.35 -0.35 -1.46 0.00 0.00 175.22 173.59 3fn0 n PRO 149 N 2.68 -0.22 -1.59 10.12 -0.04 -1.26 -0.50 135.00 144.19 3fn0 n PRO 149 Ca -0.14 -0.61 -0.34 0.00 -0.04 0.00 0.00 63.50 62.37 3fn0 n PRO 149 Cb 0.56 -0.35 0.07 0.00 -0.04 0.00 0.00 33.50 33.74 3fn0 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fn0 s GLU 150 N -3.69 2.46 0.41 0.54 2.02 -1.26 -4.77 118.70 114.42 3fn0 s GLU 150 Ca 0.21 1.59 0.07 0.00 0.02 0.00 0.00 54.97 56.86 3fn0 s GLU 150 Cb -0.01 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 3fn0 s GLU 150 CO 0.14 -1.55 0.27 -1.25 0.02 0.00 0.00 175.26 172.89 3fn0 s PRO 151 N -3.98 2.37 0.30 0.39 0.04 -1.26 -4.98 135.00 127.87 3fn0 s PRO 151 Ca 0.71 -1.70 0.11 0.00 0.04 0.00 0.00 61.00 60.16 3fn0 s PRO 151 Cb -0.25 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3fn0 s PRO 151 CO 0.43 -0.14 -0.11 0.14 0.04 0.00 0.00 177.00 177.36 3fn0 s VAL 152 N -2.54 2.69 0.08 -0.36 -7.23 -1.26 -4.49 120.40 107.29 3fn0 s VAL 152 Ca 0.44 -2.20 0.07 0.00 -1.81 0.00 0.00 61.98 58.48 3fn0 s VAL 152 Cb 0.01 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 3fn0 s VAL 152 CO 0.25 -0.34 -0.14 0.42 -0.31 0.00 0.00 175.10 174.98 3fn0 s THR 153 N -2.48 3.09 -0.06 5.32 -4.23 0.16 -4.97 115.64 112.47 3fn0 s THR 153 Ca 0.31 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3fn0 s THR 153 Cb -0.04 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.43 3fn0 s THR 153 CO 0.17 0.21 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.66 3fn0 s VAL 154 N -1.08 1.03 0.29 2.29 1.01 -1.26 -0.93 120.40 121.74 3fn0 s VAL 154 Ca 0.18 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.82 3fn0 s VAL 154 Cb -0.11 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 3fn0 s VAL 154 CO 0.09 0.33 -0.07 -0.94 0.00 0.00 0.00 175.10 174.51 3fn0 s SER 156 N 0.70 2.94 -0.11 3.32 1.04 -0.30 -4.96 113.70 116.33 3fn0 s SER 156 Ca -0.14 -1.18 0.01 0.00 0.48 0.00 0.00 55.95 55.13 3fn0 s SER 156 Cb -0.16 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 3fn0 s SER 156 CO 0.03 -0.29 -0.16 0.26 0.98 0.00 0.00 173.24 174.06 3fn0 s TRP 157 N -2.93 2.73 -1.32 5.02 0.52 -1.26 0.49 118.94 122.20 3fn0 s TRP 157 Ca 0.30 -0.62 -0.14 0.00 0.02 0.00 0.00 56.10 55.65 3fn0 s TRP 157 Cb 0.03 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 3fn0 s TRP 157 CO 0.12 -0.17 0.50 0.09 0.02 0.00 0.00 176.95 177.51 3fn0 n ASN 162 N 3.28 -2.28 -0.65 2.95 3.02 0.90 -0.63 115.26 121.86 3fn0 n ASN 162 Ca -0.18 -1.13 -0.08 0.00 -0.03 0.00 0.00 54.58 53.15 3fn0 n ASN 162 Cb 0.53 -2.53 -0.04 0.00 -0.61 0.00 0.00 39.78 37.13 3fn0 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3fn0 n SER 163 N -2.68 -5.49 0.00 6.41 7.64 -1.26 -1.90 113.62 116.34 3fn0 n SER 163 Ca -0.21 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3fn0 n SER 163 Cb 0.63 -3.73 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 3fn0 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fn0 n GLY 164 N 0.01 0.30 0.22 0.23 0.00 0.20 -4.92 105.19 101.23 3fn0 n GLY 164 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 3fn0 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fn0 h ALA 165 N 0.00 1.14 -2.91 4.61 0.00 -1.28 -3.40 119.26 117.42 3fn0 h ALA 165 Ca 0.00 -0.24 -0.68 0.00 0.00 0.00 0.00 54.91 53.99 3fn0 h ALA 165 Cb 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 17.51 3fn0 h ALA 165 CO 0.00 0.34 -0.57 -1.17 0.00 0.00 0.00 179.25 177.84 3fn0 s LEU 166 N -7.22 4.13 0.00 0.00 2.96 -0.99 -4.86 118.68 112.70 3fn0 s LEU 166 Ca -0.01 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 3fn0 s LEU 166 Cb 0.12 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3fn0 s LEU 166 CO 0.65 -0.23 0.00 0.35 -1.32 0.00 0.00 176.35 175.81 3fn0 n THR 167 N 4.94 0.00 -1.82 3.68 -2.24 -1.26 -4.15 114.28 113.44 3fn0 n THR 167 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3fn0 n THR 167 Cb 0.48 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3fn0 n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fn0 s SER 168 N -2.85 6.49 0.00 3.42 0.15 -1.26 -2.36 113.70 117.29 3fn0 s SER 168 Ca 0.00 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.35 3fn0 s SER 168 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3fn0 s SER 168 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 3fn0 n GLY 169 N 3.99 0.87 3.72 9.45 0.00 -1.26 -4.75 105.19 117.22 3fn0 n GLY 169 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3fn0 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fn0 s VAL 171 N -3.46 4.44 -0.10 1.61 1.01 -1.00 -2.50 120.40 120.41 3fn0 s VAL 171 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.90 3fn0 s VAL 171 Cb 0.00 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.17 3fn0 s VAL 171 CO 0.00 0.24 -0.08 -1.00 0.00 0.00 0.00 175.10 174.26 3fn0 s HIS 172 N 0.36 1.42 -0.26 5.22 3.76 -0.00 -5.00 115.29 120.78 3fn0 s HIS 172 Ca 0.50 -0.66 -0.03 0.00 -0.15 0.00 0.00 55.06 54.71 3fn0 s HIS 172 Cb -0.24 -1.17 0.02 0.00 1.11 0.00 0.00 32.58 32.30 3fn0 s HIS 172 CO 0.30 -0.46 -0.01 0.99 -0.85 0.00 0.00 174.74 174.71 3fn0 s THR 173 N 1.53 3.26 0.56 1.30 2.01 -1.26 -0.96 115.64 122.08 3fn0 s THR 173 Ca 0.01 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 3fn0 s THR 173 Cb -0.13 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.66 3fn0 s THR 173 CO -0.06 0.16 1.02 -0.36 -0.69 0.00 0.00 174.62 174.69 3fn0 s PHE 174 N 1.39 3.21 0.51 4.92 0.40 -0.34 -5.01 117.98 123.06 3fn0 s PHE 174 Ca 0.01 1.49 -0.23 0.00 -0.60 0.00 0.00 56.93 57.60 3fn0 s PHE 174 Cb -0.17 -2.91 -0.07 0.00 0.51 0.00 0.00 43.02 40.39 3fn0 s PHE 174 CO -0.02 -0.77 1.26 -2.30 0.70 0.00 0.00 175.22 174.10 3fn0 n PRO 175 N -1.83 1.66 -2.19 0.24 -0.02 -1.26 -4.63 135.00 126.98 3fn0 n PRO 175 Ca 0.08 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 3fn0 n PRO 175 Cb 0.53 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3fn0 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fn0 s ALA 176 N -1.29 2.98 0.03 3.55 0.00 -1.26 -4.81 121.76 120.96 3fn0 s ALA 176 Ca 0.68 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.68 3fn0 s ALA 176 Cb -0.45 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3fn0 s ALA 176 CO 0.52 -0.75 -0.08 0.14 0.00 0.00 0.00 175.76 175.59 3fn0 s VAL 177 N -1.49 3.51 -0.21 0.00 -7.23 -0.60 -4.95 120.40 109.44 3fn0 s VAL 177 Ca 0.64 -0.94 -0.23 0.00 -1.81 0.00 0.00 61.98 59.64 3fn0 s VAL 177 Cb -0.31 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 3fn0 s VAL 177 CO 0.37 0.31 0.74 -0.22 -0.31 0.00 0.00 175.10 175.99 3fn0 s LEU 178 N -1.64 4.13 0.64 1.32 2.96 -1.26 -1.83 118.68 122.99 3fn0 s LEU 178 Ca 0.18 0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 54.97 3fn0 s LEU 178 Cb -0.11 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.52 3fn0 s LEU 178 CO 0.09 -0.39 1.00 -1.10 -1.32 0.00 0.00 176.35 174.63 3fn0 s GLN 179 N 2.30 3.02 0.62 1.98 -0.21 0.15 -4.92 119.66 122.61 3fn0 s GLN 179 Ca 0.33 0.31 0.35 0.00 0.02 0.00 0.00 55.36 56.37 3fn0 s GLN 179 Cb -0.16 -2.14 1.92 0.00 1.00 0.00 0.00 33.01 33.63 3fn0 s GLN 179 CO 0.10 -0.80 2.08 0.66 -2.12 0.00 0.00 175.29 175.21 3fn0 h SER 180 N -0.38 0.00 1.60 5.90 4.64 -1.97 -0.73 113.55 122.61 3fn0 h SER 180 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3fn0 h SER 180 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3fn0 h SER 180 CO 0.62 0.00 -0.07 0.77 -0.87 0.00 0.00 176.83 177.28 3fn0 h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.47 113.55 117.67 3fn0 h SER 182 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fn0 h SER 182 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3fn0 h SER 182 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3fn0 n GLY 183 N 1.24 0.71 3.92 -0.77 0.00 -0.28 -4.95 105.19 105.07 3fn0 n GLY 183 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3fn0 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fn0 s LEU 184 N 0.00 4.20 0.44 0.99 1.43 -1.26 -4.82 118.68 119.65 3fn0 s LEU 184 Ca 0.00 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3fn0 s LEU 184 Cb 0.00 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3fn0 s LEU 184 CO 0.00 -0.07 0.69 -0.31 0.23 0.00 0.00 176.35 176.89 3fn0 s TYR 185 N -1.91 3.46 -0.06 0.29 2.02 0.92 -0.68 117.35 121.40 3fn0 s TYR 185 Ca 0.39 0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 57.47 3fn0 s TYR 185 Cb -0.11 -2.19 0.03 0.00 -0.40 0.00 0.00 41.96 39.30 3fn0 s TYR 185 CO 0.29 -0.18 0.37 0.45 -1.57 0.00 0.00 175.55 174.91 3fn0 s SER 186 N -4.11 -0.30 0.12 2.29 0.15 -0.76 -0.85 113.70 110.24 3fn0 s SER 186 Ca 0.45 0.37 -0.14 0.00 0.70 0.00 0.00 55.95 57.33 3fn0 s SER 186 Cb -0.10 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 3fn0 s SER 186 CO 0.41 -0.37 0.35 -1.48 1.20 0.00 0.00 173.24 173.35 3fn0 s LEU 187 N -0.84 0.65 0.16 3.45 0.05 -0.45 -1.55 118.68 120.15 3fn0 s LEU 187 Ca -0.09 -0.44 0.11 0.00 0.05 0.00 0.00 54.13 53.76 3fn0 s LEU 187 Cb -0.04 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.69 3fn0 s LEU 187 CO 0.04 -0.84 -0.24 -0.44 -0.55 0.00 0.00 176.35 174.31 3fn0 s SER 188 N -2.83 3.46 -0.09 1.48 0.01 -1.26 0.30 113.70 114.76 3fn0 s SER 188 Ca 0.05 -0.79 0.02 0.00 1.31 0.00 0.00 55.95 56.54 3fn0 s SER 188 Cb 0.02 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 65.98 3fn0 s SER 188 CO -0.10 0.15 -0.16 -0.55 0.41 0.00 0.00 173.24 172.99 3fn0 s SER 189 N -2.42 2.31 0.21 2.44 0.15 -0.26 -1.20 113.70 114.93 3fn0 s SER 189 Ca 0.18 -0.40 0.08 0.00 0.70 0.00 0.00 55.95 56.51 3fn0 s SER 189 Cb -0.09 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.13 3fn0 s SER 189 CO 0.09 0.04 -0.14 0.68 1.20 0.00 0.00 173.24 175.11 3fn0 s VAL 190 N 0.77 1.76 0.00 4.45 -7.23 -0.13 -0.05 120.40 119.98 3fn0 s VAL 190 Ca -0.11 -2.22 -0.01 0.00 -1.81 0.00 0.00 61.98 57.83 3fn0 s VAL 190 Cb -0.16 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 3fn0 s VAL 190 CO 0.02 -0.57 0.01 0.54 -0.31 0.00 0.00 175.10 174.79 3fn0 s VAL 191 N -2.96 0.05 -0.05 1.32 0.11 0.63 -0.82 120.40 118.68 3fn0 s VAL 191 Ca 0.23 -0.43 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 3fn0 s VAL 191 Cb -0.01 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 3fn0 s VAL 191 CO 0.07 -0.24 0.09 0.42 -3.33 0.00 0.00 175.10 172.12 3fn0 s THR 192 N -0.71 4.94 0.23 5.04 -4.23 -1.04 -1.18 115.64 118.70 3fn0 s THR 192 Ca -0.08 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.18 3fn0 s THR 192 Cb -0.05 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 3fn0 s THR 192 CO -0.00 0.46 0.30 0.68 -0.54 0.00 0.00 174.62 175.52 3fn0 s VAL 193 N -1.11 0.00 0.19 2.29 -7.23 0.90 -4.76 120.40 110.68 3fn0 s VAL 193 Ca 0.20 -1.72 -0.31 0.00 -1.81 0.00 0.00 61.98 58.33 3fn0 s VAL 193 Cb -0.12 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 3fn0 s VAL 193 CO 0.10 0.00 1.58 -2.84 -0.31 0.00 0.00 175.10 173.63 3fn0 s PRO 194 N -4.03 4.20 0.33 4.82 0.02 -1.26 0.28 135.00 139.37 3fn0 s PRO 194 Ca 0.31 2.40 0.11 0.00 0.02 0.00 0.00 61.00 63.84 3fn0 s PRO 194 Cb 0.03 -3.13 0.93 0.00 0.02 0.00 0.00 34.50 32.35 3fn0 s PRO 194 CO 0.11 -0.61 1.73 0.77 -0.33 0.00 0.00 177.00 178.67 3fn0 h SER 195 N 6.53 0.63 -0.43 2.53 0.02 -1.43 -1.98 113.55 119.43 3fn0 h SER 195 Ca -0.43 0.13 0.12 0.00 -0.84 0.00 0.00 61.79 60.77 3fn0 h SER 195 Cb 1.21 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 3fn0 h SER 195 CO 0.90 0.08 0.31 0.77 -1.14 0.00 0.00 176.83 177.75 3fn0 h SER 196 N 0.54 0.04 1.56 3.07 4.64 -1.90 -2.67 113.55 118.82 3fn0 h SER 196 Ca 0.65 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.95 3fn0 h SER 196 Cb 1.31 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3fn0 h SER 196 CO -0.46 0.03 -0.10 0.77 -0.87 0.00 0.00 176.83 176.19 3fn0 h SER 197 N 0.05 0.00 -0.07 4.97 4.64 -1.74 -3.35 113.55 118.06 3fn0 h SER 197 Ca 0.20 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3fn0 h SER 197 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3fn0 h SER 197 CO -0.01 0.10 0.19 -0.07 -0.87 0.00 0.00 176.83 176.17 3fn0 h LEU 198 N 0.00 0.00 0.14 5.97 3.38 -1.61 0.46 115.31 123.66 3fn0 h LEU 198 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3fn0 h LEU 198 Cb 0.91 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.67 3fn0 h LEU 198 CO 0.01 0.00 -1.01 1.23 0.09 0.00 0.00 178.44 178.76 3fn0 h GLY 199 N 0.00 0.35 0.12 0.83 0.00 -1.82 -3.42 103.07 99.13 3fn0 h GLY 199 Ca 0.03 -0.89 -0.38 0.00 0.00 0.00 0.00 47.33 46.09 3fn0 h GLY 199 CO -0.00 0.78 -2.36 -1.30 0.00 0.00 0.00 176.54 173.66 3fn0 n THR 200 N -4.05 1.51 -3.04 4.70 -2.24 0.12 -4.95 114.28 106.33 3fn0 n THR 200 Ca -0.17 -0.66 -0.40 0.00 -2.27 0.00 0.00 64.05 60.56 3fn0 n THR 200 Cb 0.86 -1.23 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 3fn0 n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3fn0 s GLN 203 N -2.52 4.44 0.15 -0.78 2.00 0.14 -5.04 119.66 118.04 3fn0 s GLN 203 Ca -0.26 0.89 -0.29 0.00 -2.00 0.00 0.00 55.36 53.70 3fn0 s GLN 203 Cb 0.08 -3.44 -0.07 0.00 0.80 0.00 0.00 33.01 30.38 3fn0 s GLN 203 CO 0.68 0.09 0.90 0.99 -0.50 0.00 0.00 175.29 177.45 3fn0 s THR 205 N 0.71 4.38 -0.14 -0.34 2.01 -1.26 -4.75 115.64 116.26 3fn0 s THR 205 Ca 0.38 1.96 0.00 0.00 0.31 0.00 0.00 61.69 64.34 3fn0 s THR 205 Cb -0.18 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.09 3fn0 s THR 205 CO 0.19 0.41 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.09 3fn0 s TYR 206 N -0.55 2.01 -0.07 4.92 2.02 -1.26 -4.98 117.35 119.44 3fn0 s TYR 206 Ca 0.42 -1.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.05 3fn0 s TYR 206 Cb -0.24 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3fn0 s TYR 206 CO 0.29 -0.61 -0.09 0.42 -1.57 0.00 0.00 175.55 173.99 3fn0 s ILE 207 N 1.44 0.92 -0.09 2.71 1.01 -1.26 -1.12 121.20 124.81 3fn0 s ILE 207 Ca 0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 3fn0 s ILE 207 Cb -0.13 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 3fn0 s ILE 207 CO -0.09 0.31 0.40 0.00 0.00 0.00 0.00 174.94 175.57 3fn0 s ASN 209 N -0.01 5.14 -0.12 0.00 -0.87 0.18 -1.07 114.94 118.19 3fn0 s ASN 209 Ca 0.23 -0.48 -0.00 0.00 -1.57 0.00 0.00 52.86 51.04 3fn0 s ASN 209 Cb -0.15 -1.91 -0.02 0.00 -0.02 0.00 0.00 41.25 39.16 3fn0 s ASN 209 CO 0.10 -0.13 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.69 3fn0 s VAL 210 N 1.56 3.18 -0.08 1.60 1.01 0.85 -1.15 120.40 127.37 3fn0 s VAL 210 Ca 0.04 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3fn0 s VAL 210 Cb -0.16 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.89 3fn0 s VAL 210 CO 0.03 0.53 -0.18 0.20 0.00 0.00 0.00 175.10 175.68 3fn0 s ASN 211 N 0.16 2.43 -0.26 3.32 -0.87 -0.11 -0.54 114.94 119.07 3fn0 s ASN 211 Ca -0.06 -0.42 -0.01 0.00 -1.57 0.00 0.00 52.86 50.80 3fn0 s ASN 211 Cb -0.15 -1.03 0.08 0.00 -0.02 0.00 0.00 41.25 40.12 3fn0 s ASN 211 CO 0.05 0.11 0.04 -2.28 -2.57 0.00 0.00 177.10 172.44 3fn0 s HIS 212 N 0.40 1.77 0.13 2.20 2.46 0.10 -0.66 115.29 121.68 3fn0 s HIS 212 Ca -0.14 -1.52 -0.07 0.00 0.47 0.00 0.00 55.06 53.79 3fn0 s HIS 212 Cb -0.16 -1.52 -0.09 0.00 -0.13 0.00 0.00 32.58 30.68 3fn0 s HIS 212 CO 0.06 -0.77 1.32 0.87 -2.47 0.00 0.00 174.74 173.75 3fn0 h LYS 213 N 8.08 0.56 0.00 2.88 1.57 -1.81 -0.41 116.57 127.44 3fn0 h LYS 213 Ca -0.15 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 3fn0 h LYS 213 Cb 1.06 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3fn0 h LYS 213 CO 0.42 1.15 0.18 -1.35 -0.57 0.00 0.00 179.45 179.28 3fn0 h PRO 214 N 0.35 0.00 0.00 3.15 0.11 -1.92 -0.52 132.00 133.17 3fn0 h PRO 214 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3fn0 h PRO 214 Cb 1.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.60 3fn0 h PRO 214 CO 0.16 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.82 3fn0 n SER 215 N -2.32 1.27 -2.29 -2.05 3.41 -1.13 -4.92 113.62 105.58 3fn0 n SER 215 Ca -0.01 -1.51 -0.16 0.00 -0.26 0.00 0.00 58.87 56.93 3fn0 n SER 215 Cb 0.22 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 3fn0 n SER 215 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3fn0 n ASN 216 N -0.26 -4.66 -4.74 4.04 6.94 -0.20 -4.92 115.26 111.45 3fn0 n ASN 216 Ca 0.00 0.15 -0.37 0.00 -0.02 0.00 0.00 54.58 54.33 3fn0 n ASN 216 Cb 0.23 -3.96 -0.06 0.00 -2.36 0.00 0.00 39.78 33.62 3fn0 n ASN 216 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3fn0 s THR 217 N -2.73 5.22 -0.19 5.53 2.01 -0.25 -4.97 115.64 120.25 3fn0 s THR 217 Ca 0.00 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 3fn0 s THR 217 Cb 0.00 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 68.87 3fn0 s THR 217 CO 0.00 0.39 0.16 -0.75 -0.69 0.00 0.00 174.62 173.74 3fn0 s LYS 218 N 0.28 0.13 -0.03 4.92 2.20 -1.26 0.00 119.74 125.99 3fn0 s LYS 218 Ca 0.22 0.08 0.05 0.00 -0.36 0.00 0.00 55.97 55.95 3fn0 s LYS 218 Cb -0.14 -1.48 -0.01 0.00 -1.51 0.00 0.00 37.83 34.69 3fn0 s LYS 218 CO 0.08 -0.66 -0.17 0.08 -0.36 0.00 0.00 175.35 174.31 3fn0 s VAL 219 N 2.25 1.40 -0.16 4.02 1.01 0.30 -4.98 120.40 124.24 3fn0 s VAL 219 Ca 0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3fn0 s VAL 219 Cb -0.16 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3fn0 s VAL 219 CO -0.11 0.40 -0.07 -1.81 0.00 0.00 0.00 175.10 173.51 3fn0 s ASP 220 N -0.14 4.37 -0.17 3.32 -0.00 -1.26 -0.10 116.67 122.69 3fn0 s ASP 220 Ca 0.00 -0.27 0.01 0.00 -0.00 0.00 0.00 52.55 52.29 3fn0 s ASP 220 Cb -0.10 -1.71 0.02 0.00 -0.00 0.00 0.00 42.92 41.14 3fn0 s ASP 220 CO 0.01 0.12 -0.17 -0.75 -0.00 0.00 0.00 175.17 174.38 3fn0 s LYS 221 N 0.62 2.65 -0.04 8.23 2.47 -0.23 -4.97 119.74 128.47 3fn0 s LYS 221 Ca -0.05 -0.71 -0.28 0.00 -1.56 0.00 0.00 55.97 53.38 3fn0 s LYS 221 Cb -0.15 -2.36 -0.03 0.00 -1.46 0.00 0.00 37.83 33.84 3fn0 s LYS 221 CO 0.03 -0.23 0.90 0.21 0.16 0.00 0.00 175.35 176.42 3fn0 s LYS 222 N 1.38 4.49 -0.28 4.03 2.20 -1.26 -1.66 119.74 128.64 3fn0 s LYS 222 Ca 0.05 1.25 -0.07 0.00 -0.36 0.00 0.00 55.97 56.83 3fn0 s LYS 222 Cb -0.13 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 3fn0 s LYS 222 CO -0.12 -0.07 0.08 0.08 -0.36 0.00 0.00 175.35 174.96 3fn0 s VAL 223 N 1.15 4.05 0.11 4.02 1.01 -0.27 -4.92 120.40 125.55 3fn0 s VAL 223 Ca 0.47 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.96 3fn0 s VAL 223 Cb -0.19 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3fn0 s VAL 223 CO 0.23 0.14 -0.19 -1.61 0.00 0.00 0.00 175.10 173.67 3fn0 s GLU 226 N 1.53 1.10 0.00 2.72 2.02 -1.26 -4.42 118.70 120.38 3fn0 s GLU 226 Ca 0.04 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.84 3fn0 s GLU 226 Cb -0.17 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 32.81 3fn0 s GLU 226 CO 0.03 0.28 0.34 -2.30 0.02 0.00 0.00 175.26 173.63